Cas no 20629-61-2 (2-bromobutyrate)
2-bromobutyrate structure
Product Name:2-bromobutyrate
CAS No:20629-61-2
MF:C4H6BrO2
MW:165.993240833282
CID:910156
PubChem ID:152317
Update Time:2025-04-19
2-bromobutyrate Chemical and Physical Properties
Names and Identifiers
-
- 2-bromobutyrate
- 2-bromobutanoate
- DTXSID50942825
- bromobutyrate
- bromo-ethyl-acetate
- Butanoic acid, 2-bromo-, ion(1-), (+-)-
- YAQLSKVCTLCIIE-UHFFFAOYSA-M
- AKOS024437461
- 20629-61-2
-
- Inchi： 1S/C4H7BrO2/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)/p-1
- InChI Key： YAQLSKVCTLCIIE-UHFFFAOYSA-M
- SMILES： BrC(C(=O)[O-])CC
Computed Properties
- Exact Mass: 164.95512g/mol
- Monoisotopic Mass: 164.95512g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 7
- Rotatable Bond Count: 1
- Complexity: 66.6
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 40.1?2
2-bromobutyrate Related Literature
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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